Materials Data on Ba9In4 by Materials Project

Abstract

Ba9In4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are three inequivalent Ba sites. In the first Ba site, Ba is bonded in a square co-planar geometry to four equivalent In atoms. All Ba–In bond lengths are 3.65 Å. In the second Ba site, Ba is bonded in a 3-coordinate geometry to three equivalent In atoms. There are two shorter (3.70 Å) and one longer (3.72 Å) Ba–In bond lengths. In the third Ba site, Ba is bonded in a distorted trigonal planar geometry to three equivalent In atoms. There are one shorter (3.58 Å) and two longer (3.69 Å) Ba–In bond lengths. In is bonded in a 7-coordinate geometry to seven Ba atoms.